1-[2-(3,4-Dimethoxyphenyl)ethyl]azetidin-3-ol
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Basic information
- Standard SMILES
COc1ccc(CCN2CC(O)C2)cc1OC- InChIKey
CNWCFFXVNZHBLT-UHFFFAOYSA-N- Molecular formula
- C13H19NO3
- Average molar mass
- 237.29 g/mol
- Monoisotopic mass
- 237.13649347
Names & identifiers
- Preferred name
- 1-[2-(3,4-Dimethoxyphenyl)ethyl]azetidin-3-ol
- IUPAC
- 1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol
Names & synonyms
SCHEMBL10511464CNWCFFXVNZHBLT-UHFFFAOYSA-N1-[2-(3,4-dimethoxyphenyl)ethyl]azetidin-3-ol
Database identifiers
- PubChem CID
- 20031380
Properties
Computed structural propertiesFilling in
- XLogP
- 0.9
- Topological polar surface area
- 41.9 Ų
- Hydrogen bond donors
- 1
- Hydrogen bond acceptors
- 4
- Rotatable bonds
- 5
- Heavy atoms
- 17
- Formal charge
- 0
- Complexity
- 231
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Related reactions
2 records
Compound notes
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